Geometry & MOs

Info

ID:	340453
PubChem CID:	127262464
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	262.120509
ΔH_f, kcal/mol:	-100.91
Dipole, Da:	3.86
IP(EA), eV:	-9.08(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(E)-4-ethoxy-2-methyl-4-oxobut-1-enyl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)OC/C=C/C

DOS

IR

Vibrations